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Chemical ID: 4324328
Chemical ID:
4324328
Name [?]:
N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3cc(ccc3Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-12-2-5-15(6-3-12)25-11-18(24)23-19-22-10-16(26-19)9-13-8-14(20)4-7-17(13)21/h2-8,10H,9,11H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,7,22,4,6,23,20,18,15,9,2,19,21,5,16,24,10,13,26,25,14,12,11,8,17/E:(2,3)(5,6)/rA:26nCCCCCCCOCCONCNCCSCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16Cl2N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2351 |
Area: | 620.253 |
Solvation: | -5.27118 |
Coulombic: | -34.2423 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.31 |
LogP (Chemaxon): | 5.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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